Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Piperidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Piperidine SCHEMBL66142 | 0.97 | — | — | |
| Piperidine SCHEMBL6836703 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Piperidine SCHEMBL28352932 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Pyrrolidine SCHEMBL5683314 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Pyrrolidine SCHEMBL222328 | 0.94 | — | — | |
| Cyclohexane SCHEMBL28639868 | 0.87 | ALDH1A1 (0.44) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Azetidine SCHEMBL22833205 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Azetidine SCHEMBL1500479 | 0.87 | — | — | |
| Piperidine SCHEMBL28006849 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2TSHR | |
| Piperidine SCHEMBL2914572 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103391935-B | Diaminopyrimidine derivatives and process for preparing same | Liu Hanyangxing (KR) | 2015-12-23 | — | — | CN | disclosed |
| CN-101259140-B | Compound medicaments treating gastritis, gastric ulcer, and duodenal ulcer and preparation thereof | CHONGQING BEIBEI MODEM APPLIC PHARMACEUTICAL INST | 2012-08-22 | — | — | CN | disclosed |
| CN-101259140-A | Compound medicaments treating gastritis, gastric ulcer, and duodenal ulcer and preparation thereof | CHONGQING BEIBEI MODEM APPLIC (CN) | 2008-09-10 | — | — | CN | disclosed |